Geometry & MOs

Info

ID:	282845
PubChem CID:	103941983
Reduced:	SN2F3O3C10H13 (1)
Stoich.:	AB2C3D3E10F13 (1)
Weight, g/mol:	299.130363
ΔH_f, kcal/mol:	-207.98
Dipole, Da:	3.88
IP(EA), eV:	-9.17(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-[3-(dimethylamino)piperidin-1-yl]-4-nitrothiophen-2-yl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(S1)N(C)CCC(F)(F)F)[N+](=O)[O-])O

DOS

IR

Vibrations